NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6395 8.2785 119.2051 53.6126 41.0357 176.2594 0 A 3.9221 8.1096 120.2489 53.3584 18.3940 176.9626 1 S 4.2952 8.0945 108.3687 59.5760 64.6404 172.9064 2 K 3.8494 7.3303 122.4649 57.8729 32.5285 176.4331 3 G 3.6266 8.8427 113.7534 46.0236 0.0000 172.8889 5 A 4.8095 7.6535 118.9252 50.4802 20.6709 178.0220 6 L 4.8594 8.3252 121.1814 52.2446 45.2263 176.6257 7 R 4.0462 8.5608 121.3356 56.4683 30.6011 176.6545 8 S 4.3002 7.9364 121.8477 58.2904 63.4378 174.2577 9 V 4.0953 8.1856 123.7322 60.9327 31.7222 176.0051 10 G 3.6104 8.5683 117.4114 47.1659 0.0000 173.0015 11 G 3.6513 8.9273 113.1151 45.7965 0.0000 173.0497 *13 V 3.8577 7.0738 116.6966 62.8530 32.9831 174.5744 14 I 4.1315 8.5342 128.3694 60.7010 36.6780 174.2088 15 E 4.3747 8.2893 124.0507 56.4219 31.7937 175.8137 16 S 4.6598 7.5902 116.3775 56.0194 64.2648 172.7612 17 P 4.4799 0.0000 0.0000 63.3503 31.7179 176.8069 18 R 4.2241 9.5480 121.9213 57.9224 30.8762 175.6203 19 N 4.9643 7.4661 114.3238 51.0026 41.0988 174.8941 20 E 4.0861 8.6485 119.3052 59.6758 29.3793 179.6526 21 T 4.0006 7.9343 115.5590 66.6614 68.4016 176.2270 22 E 4.0294 8.2687 120.0490 59.6576 29.5439 178.7356 23 H 4.1789 8.2592 117.9398 59.0547 29.9000 177.0175 24 W 4.1537 8.5403 130.2979 60.3520 30.3983 177.6375 25 L 3.3581 8.5264 120.5560 58.0060 41.5102 178.8591 26 L 3.8391 7.8787 118.9142 57.7448 41.5169 179.1868 27 E 3.7729 7.9922 119.0741 59.4224 29.5672 179.0511 28 T 3.5241 7.5075 115.9150 66.5694 68.4123 176.9269 29 V 3.5603 7.7175 120.5182 65.7448 31.3968 178.1465 30 G 3.5632 8.2186 105.8450 47.8734 0.0000 175.5839 31 R 3.8408 7.9741 121.5071 59.1537 29.9991 178.6585 32 Q 3.9280 8.1458 117.6344 58.6941 28.6453 178.5312 33 A 3.9153 8.3202 122.2494 55.1564 18.5800 179.2642 34 Q 3.8791 8.2164 118.3150 59.7190 28.8699 178.8623 35 Q 4.0091 8.0373 117.3899 58.6565 28.8538 177.8809 36 A 4.2688 8.2350 119.8955 52.1389 18.6860 177.6857 37 G 3.7788 7.7976 104.9931 46.2064 0.0000 173.4897 38 I 4.6403 7.5741 111.6973 57.7926 41.7869 176.9720 39 G 3.5092 8.9393 112.4652 46.5184 0.0000 173.4783 *41 P 4.4464 0.0000 0.0000 62.1157 33.6989 177.6035 42 T 4.0511 8.6857 119.3755 63.9087 69.7872 173.5472 43 V 4.9456 8.3448 123.8588 61.1353 34.9456 173.9905 44 A 5.0523 8.9203 127.9344 50.3432 23.1881 174.5023 45 I 5.0153 8.3429 120.0713 59.6802 40.0850 174.3998 46 Y 5.2671 8.5166 123.5407 55.1107 41.5646 174.2809 47 D 4.8278 8.8568 121.0864 54.3939 41.7648 175.7683 48 S 4.6726 8.4997 115.6775 57.4611 65.8659 176.1412 49 A 4.0694 8.8876 128.7179 54.7939 18.6193 178.1289 50 D 4.4796 7.8902 115.2352 54.4449 41.5349 176.2774 51 I 4.3761 8.1095 122.8409 60.4969 38.2371 174.1673 52 N 5.3552 8.4191 124.6597 52.1451 42.9156 172.7857 53 A 5.4088 8.7854 125.4761 50.1928 22.9552 174.7750 54 F 5.5560 9.1033 115.0762 55.4605 41.9211 173.4932 55 A 5.1729 9.1738 120.5220 51.0458 22.6090 175.6418 56 T 4.5319 9.0596 114.5946 59.9219 70.8967 174.3211 57 G 3.9936 8.7465 114.6347 46.0710 0.0000 175.1149 58 A 4.2007 8.2094 126.1365 53.8330 20.0052 179.8585 59 K 3.9192 8.3412 112.9703 57.4260 30.9520 177.1036 *62 D 4.5566 8.7816 123.6994 53.8324 44.0022 176.3652 63 S 4.8889 7.4322 111.6685 56.9402 66.5778 171.6640 64 L 5.1070 8.5783 120.7776 53.3308 45.8284 174.9688 65 V 4.8575 9.0117 124.7346 60.9714 34.6661 173.8978 66 A 5.0928 8.7919 129.3391 49.9671 21.9933 174.7769 67 V 4.7957 8.5736 121.9354 60.8301 35.1521 175.0555 68 S 3.7269 8.5197 122.2962 57.5685 64.1313 175.2087 69 T 3.7399 8.4667 113.4901 65.0939 68.0080 176.6182 70 G 3.6545 7.7396 107.4488 47.4622 0.0000 174.9592 71 L 4.0902 7.9198 122.6143 58.0363 41.9562 179.1602 72 L 4.0166 7.4003 116.8413 58.1118 41.5541 179.0003 73 H 4.4984 8.2882 115.7427 57.7048 28.7821 176.2624 74 N 4.8759 7.6193 117.3389 52.3298 40.3079 174.7695 *76 T 4.0578 7.2839 109.0496 61.1343 70.4928 174.6804 77 R 3.3729 8.2666 120.4090 59.5697 29.8864 178.9276 78 D 4.4919 8.0532 117.8572 57.4566 40.9521 178.6933 79 E 3.9492 8.1542 118.3748 59.4194 29.4714 179.2779 80 A 4.1086 8.3528 121.1296 55.1373 18.4127 179.1815 81 E 3.9547 9.0941 118.0913 59.5445 29.7065 179.0075 82 A 4.0554 8.1383 120.8222 54.9984 18.3528 179.8440 83 V 3.5697 7.7744 116.3540 66.1433 31.6676 178.3067 84 L 3.9544 8.2069 118.6224 57.7384 41.4606 179.2034 85 A 3.9899 8.3699 121.1319 55.5147 18.0822 179.2100 86 H 4.0408 8.2630 116.5585 59.5098 30.0119 177.3877 87 E 4.0375 8.4664 120.5755 59.4026 29.1801 179.4174 88 V 3.6100 8.3305 119.0101 65.9910 31.1634 178.1891 89 S 4.0450 8.0249 114.0429 61.7256 62.6869 176.3764 90 H 4.2167 7.8055 119.6622 58.6338 28.4469 177.6869 91 I 3.7034 7.9086 121.4207 64.5003 36.7385 178.3745 92 A 4.1641 8.0724 120.5093 54.8716 18.2371 178.5189 93 N 4.6607 7.6364 112.2353 53.0295 38.6730 175.5697 94 G 4.0442 8.2014 108.7149 46.2046 0.0000 174.4657 95 D 5.0014 7.8239 120.8793 53.6611 43.7996 176.4400 *97 V 4.2101 8.2457 123.7898 63.1272 33.2227 174.8197 98 T 5.3679 7.9734 115.5116 59.8626 71.1746 172.3842 *100 T 4.3658 8.3044 117.8708 63.7673 69.4227 174.3628 101 L 4.8947 8.3214 126.0210 53.5177 45.0461 176.6699 *103 Q 4.1854 8.6113 119.6601 57.2070 28.7761 175.5542 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.28 4.64 0.00 2.82 2.88 0.00 0.00 6.95 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.11 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 S 8.09 4.30 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 7.33 3.85 0.00 1.79 1.77 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 3 G 8.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.65 4.81 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.33 4.86 0.00 1.52 1.56 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.56 4.05 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 8 S 7.94 4.30 0.00 4.10 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.19 4.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 10 G 8.57 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.93 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 V 7.07 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 14 I 8.53 4.13 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.98 0.00 0.00 15 E 8.29 4.37 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 16 S 7.59 4.66 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.48 0.00 2.10 2.16 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 18 R 9.55 4.22 0.00 1.93 1.98 0.00 3.17 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 19 N 7.47 4.96 0.00 2.89 3.04 0.00 0.00 6.30 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.65 4.09 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 21 T 7.93 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 22 E 8.27 4.03 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 23 H 8.26 4.18 0.00 3.27 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.54 4.15 0.00 3.47 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.53 3.36 0.00 2.07 1.85 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.88 3.84 0.00 1.75 1.61 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.99 3.77 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 28 T 7.51 3.52 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 29 V 7.72 3.56 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.81 0.00 0.00 30 G 8.22 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.97 3.84 0.00 1.89 1.99 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 Q 8.15 3.93 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 33 A 8.32 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.22 3.88 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 35 Q 8.04 4.01 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 36 A 8.24 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.57 4.64 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.90 0.00 0.00 39 G 8.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 P 0.00 4.45 0.00 1.93 2.00 0.00 3.69 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 42 T 8.69 4.05 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 V 8.34 4.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.86 0.00 0.00 44 A 8.92 5.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.34 5.02 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.85 0.00 0.00 46 Y 8.52 5.27 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.86 4.83 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.50 4.67 0.00 4.15 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.89 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.89 4.48 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.11 4.38 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.92 0.00 0.00 52 N 8.42 5.36 0.00 2.86 2.82 0.00 0.00 6.76 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.79 5.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.10 5.56 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.17 5.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.06 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 57 G 8.75 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.21 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.34 3.92 0.00 1.75 1.57 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.44 7.81 *62 D 8.78 4.56 0.00 2.68 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.43 4.89 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.58 5.11 0.00 1.71 1.49 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.01 4.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 66 A 8.79 5.09 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.57 4.80 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 68 S 8.52 3.73 0.00 3.42 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.47 3.74 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 70 G 7.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.92 4.09 0.00 1.76 1.78 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.40 4.02 0.00 1.71 1.69 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.29 4.50 0.00 3.22 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.62 4.88 0.00 2.78 2.81 0.00 0.00 7.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.28 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 R 8.27 3.37 0.00 1.63 1.81 0.00 2.77 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 78 D 8.05 4.49 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.15 3.95 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 80 A 8.35 4.11 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.09 3.95 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 82 A 8.14 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.77 3.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.97 0.00 0.00 84 L 8.21 3.95 0.00 1.85 1.76 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.37 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.26 4.04 0.00 3.40 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.47 4.04 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 88 V 8.33 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 89 S 8.02 4.05 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.81 4.22 0.00 3.34 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.91 3.70 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.91 0.00 0.00 92 A 8.07 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.64 4.66 0.00 2.89 2.87 0.00 0.00 7.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.82 5.00 0.00 2.79 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 V 8.25 4.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 98 T 7.97 5.37 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *100 T 8.30 4.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 101 L 8.32 4.89 0.00 1.51 1.59 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *103 Q 8.61 4.19 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.